4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione CAS 259269-45-9
| CAS No. | 259269-45-9 |
| Molecular Formula | C12H7NO3 |
| Molecular Weight | 213.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage, 4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 213.19 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine-4,6-dione (CAS 259269-45-9), molecular formula C12H7NO3 and molecular weight 213.19 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C12H7NO3 |
| Molecular Weight | 213.19 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 1 |
Recommended Standards
- 4-Amino-5H-chromeno[4,3-d]pyrimidin-5-one (CAS 871131-52-1)
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- 4-Amino-5-benzoylisoxazole-3-carbonitrile (CAS 76390-68-6)
- 4-Nitrobenzo[4,5]imidazo[1,2-a]pyridine (CAS 33452-78-7)
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- Methyl 2-(1-oxidothiomorpholino)but-3-enoate (CAS 1695686-55-5)
- Ethyl (2-aminophenyl)glycinate (CAS 1179880-63-7)
- (e)-3-(Quinolin-2-yl)prop-2-en-1-ol (CAS 150294-54-5)
- 7-Bromo-4,5-difluoroindolin-2-one (CAS 2090777-89-0)
- Ethyl 3-chloro-2-(bromomethyl)benzoate (CAS 56427-72-6)
- 7-Hydroxyspiro[chromane-2,1'-cyclohexan]-4-one (CAS 62756-43-8)
- 4-(Aminomethyl)-2-cyano-5-(difluoromethoxy)benzene-1-sulfonyl chloride (CAS 1805140-97-9)
- Hexapeptide-1 (CAS CATO-CPTD788821)
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